Cas no 73758-25-5 (Benzene-2,3,4,5,6-d5-ethan-b,b-d2-amine, a-methyl- (9CI))
73758-25-5 structure
Product Name:Benzene-2,3,4,5,6-d5-ethan-b,b-d2-amine, a-methyl- (9CI)
CAS No:73758-25-5
MF:C9H13N
MW:142.249354124069
CID:566694
PubChem ID:3056365
Update Time:2025-04-19
Benzene-2,3,4,5,6-d5-ethan-b,b-d2-amine, a-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene-2,3,4,5,6-d5-ethan-b,b-d2-amine, a-methyl- (9CI)
- 1,1-dideuterio-1-phenyl-propan-2-amine
- 1,1-dideuterio-1-phenylpropan-2-amine
- 73758-25-5
- 1-(~2~H_5_)Phenyl(1,1-~2~H_2_)propan-2-amine
- DTXSID80994650
- Amphetamine-d7
- alpha-Methyl-phen-d5-ethyl-beta,beta-d2-amine
- BRN 2847736
- Phen-d5-ethyl-beta,beta-d2-amine, alpha-methyl-
-
- Inchi： 1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i2D,3D,4D,5D,6D,7D2
- InChI Key： KWTSXDURSIMDCE-XDLMLWIYSA-N
- SMILES： NC(C)C([2H])([2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 142.149
- Monoisotopic Mass: 142.149
- Isotope Atom Count: 7
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 84.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- Density: 0.996
- Boiling Point: 201.5°C at 760 mmHg
- Flash Point: 87.4°C
- Refractive Index: 1.527
Benzene-2,3,4,5,6-d5-ethan-b,b-d2-amine, a-methyl- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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